[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylidene-(phenylcarbamothioylamino)azanium

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylidene-(phenylcarbamothioylamino)azanium Openeye Name: [4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methylene-(phenylcarbamothioylamino)ammonium CAS Name: [[anilino(sulfanylidene)methyl]amino]-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]ammonium IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene-(phenylcarbamothioylamino)azanium Traditional Name: [4-(2-chloro-6-fluoro-benzyl)oxy-3-methoxy-benzylidene]-(phenylthiocarbamoylamino)ammonium Formula: C22H20ClFN3O2S+ MolecularWeight: 444.929503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=[NH+]NC(=S)NC2=CC=CC=C2)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=CC(=C1)C=[NH+]NC(=S)NC2=CC=CC=C2)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H19ClFN3O2S/c1-28-21-12-15(13-25-27-22(30)26-16-6-3-2-4-7-16)10-11-20(21)29-14-17-18(23)8-5-9-19(17)24/h2-13H,14H2,1H3,(H2,26,27,30)/p+1